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Information card for entry 2240790
Preview
Coordinates | 2240790.cif |
---|---|
Structure factors | 2240790.hkl |
Original IUCr paper | HTML |
Chemical name | (<i>E</i>)-4-Ethyl-2-(4-methoxybenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-\ one |
---|---|
Formula | C20 H20 O2 |
Calculated formula | C20 H20 O2 |
SMILES | C1(=O)c2ccccc2C(C/C1=C\c1ccc(cc1)OC)CC |
Title of publication | Crystal structure of (<i>E</i>)-4-ethyl-2-(4-methoxybenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-one |
Authors of publication | Akhazzane, Mohamed; Al Houari, Ghali; El Yazidi, Mohamed; Saadi, Mohamed; El Ammari, Lahcen |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 6 |
Pages of publication | o432 |
a | 12.0411 ± 0.0013 Å |
b | 8.9698 ± 0.0009 Å |
c | 15.5832 ± 0.0018 Å |
α | 90° |
β | 110.721 ± 0.003° |
γ | 90° |
Cell volume | 1574.2 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0843 |
Residual factor for significantly intense reflections | 0.0462 |
Weighted residual factors for significantly intense reflections | 0.109 |
Weighted residual factors for all reflections included in the refinement | 0.1292 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181907 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07 |
2240790.cif 2240790.hkl |
137551 | 2015-05-30 | cif/ hkl/ Adding structures of 2240790 via cif-deposit CGI script. |
2240790.cif 2240790.hkl |
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Users of the data should acknowledge the original authors of the
structural data.